Structure of PDB 4nej Chain A Binding Site BS01

Receptor Information
>4nej Chain A (length=118) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRMLTFKFYMPKKATEL
KHLQCLEEELKPLEEVLNLAQSDLISNINVIVLELKGFMCEYADETATIV
EFLNRWITFSQSIISTLT
Ligand information
Ligand ID2K1
InChIInChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyOVOCLWJUABOAPL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1oc(cc1)C
OpenEye OEToolkits 1.7.6Cc1ccc(o1)C(=O)O
CACTVS 3.385Cc1oc(cc1)C(O)=O
FormulaC6 H6 O3
Name5-methylfuran-2-carboxylic acid
ChEMBLCHEMBL3183624
DrugBank
ZINCZINC000000062699
PDB chain4nej Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nej Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
Resolution1.919 Å
Binding residue
(original residue number in PDB)		F42 K43 F44
Binding residue
(residue number reindexed from 1)		F39 K40 F41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005125 cytokine activity
GO:0005134 interleukin-2 receptor binding
GO:0005515 protein binding
GO:0008083 growth factor activity
GO:0019209 kinase activator activity
GO:0030246 carbohydrate binding
GO:0031851 kappa-type opioid receptor binding
GO:0043208 glycosphingolipid binding
Biological Process
GO:0002250 adaptive immune response
GO:0002366 leukocyte activation involved in immune response
GO:0002639 positive regulation of immunoglobulin production
GO:0002903 negative regulation of B cell apoptotic process
GO:0006366 transcription by RNA polymerase II
GO:0006955 immune response
GO:0007155 cell adhesion
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007267 cell-cell signaling
GO:0008284 positive regulation of cell population proliferation
GO:0010467 gene expression
GO:0030101 natural killer cell activation
GO:0030217 T cell differentiation
GO:0030307 positive regulation of cell growth
GO:0030890 positive regulation of B cell proliferation
GO:0032729 positive regulation of type II interferon production
GO:0032740 positive regulation of interleukin-17 production
GO:0034105 positive regulation of tissue remodeling
GO:0038110 interleukin-2-mediated signaling pathway
GO:0042098 T cell proliferation
GO:0042102 positive regulation of T cell proliferation
GO:0042104 positive regulation of activated T cell proliferation
GO:0043066 negative regulation of apoptotic process
GO:0045471 response to ethanol
GO:0045582 positive regulation of T cell differentiation
GO:0045591 positive regulation of regulatory T cell differentiation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046013 regulation of T cell homeostatic proliferation
GO:0046651 lymphocyte proliferation
GO:0048304 positive regulation of isotype switching to IgG isotypes
GO:0050672 negative regulation of lymphocyte proliferation
GO:0050728 negative regulation of inflammatory response
GO:0050729 positive regulation of inflammatory response
GO:0050798 activated T cell proliferation
GO:0060999 positive regulation of dendritic spine development
GO:0097192 extrinsic apoptotic signaling pathway in absence of ligand
GO:0097696 cell surface receptor signaling pathway via STAT
GO:1900100 positive regulation of plasma cell differentiation
GO:1901327 response to tacrolimus
GO:2000320 negative regulation of T-helper 17 cell differentiation
GO:2000561 regulation of CD4-positive, alpha-beta T cell proliferation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nej, PDBe:4nej, PDBj:4nej
PDBsum4nej
PubMed
UniProtP60568|IL2_HUMAN Interleukin-2 (Gene Name=IL2)

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